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2-(4-(trifluoromethyl)phenyl)thiazole is a thiazole derivative with the molecular formula C11H7F3NS. It is a heterocyclic organic compound that features a ring structure containing both sulfur and nitrogen. 2-(4-(trifluoromethyl)phenyl)thiazole is recognized for its versatile chemical reactivity and pharmacological properties, making it a valuable building block in the synthesis of pharmaceuticals and agrochemicals. The trifluoromethylphenyl group enhances its bioactivity, while the thiazole ring provides stability and lipophilicity, which are beneficial for drug design and development. The incorporation of fluorine atoms also boosts the molecule's chemical and metabolic stability, marking it as a promising synthetic intermediate for pharmaceutical applications.

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  • 1005196-13-3 Structure
  • Basic information

    1. Product Name: 2-(4-(trifluoromethyl)phenyl)thiazole
    2. Synonyms: 2-(4-(trifluoromethyl)phenyl)thiazole;2-(4-FLUOROPHENYL)THIAZOLE(WXG02973)
    3. CAS NO:1005196-13-3
    4. Molecular Formula: C9H6FNS
    5. Molecular Weight: 229.2215496
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1005196-13-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 272.086 °C at 760 mmHg
    3. Flash Point: 118.353 °C
    4. Appearance: /
    5. Density: 1.265 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(4-(trifluoromethyl)phenyl)thiazole(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(4-(trifluoromethyl)phenyl)thiazole(1005196-13-3)
    11. EPA Substance Registry System: 2-(4-(trifluoromethyl)phenyl)thiazole(1005196-13-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1005196-13-3(Hazardous Substances Data)

1005196-13-3 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-(trifluoromethyl)phenyl)thiazole serves as a key intermediate in the development of new pharmaceutical compounds due to its bioactive properties and chemical stability. Its unique structure allows for the creation of drugs with specific targeting and therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(4-(trifluoromethyl)phenyl)thiazole is utilized as a precursor in the synthesis of pesticides and other agrochemical products. Its stability and reactivity contribute to the effectiveness and longevity of these products in agricultural applications.
Used in Medicinal Chemistry:
2-(4-(trifluoromethyl)phenyl)thiazole is employed as a structural component in medicinal chemistry for the design of novel therapeutic agents. Its presence in a molecule can influence pharmacokinetics and pharmacodynamics, potentially leading to improved drug efficacy and safety profiles.
Used in Chemical Research:
As a compound with intriguing reactivity and structural features, 2-(4-(trifluoromethyl)phenyl)thiazole is also used in chemical research to explore new reaction pathways and to understand the effects of trifluoromethyl and thiazole groups on molecular properties and reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 1005196-13-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,5,1,9 and 6 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1005196-13:
(9*1)+(8*0)+(7*0)+(6*5)+(5*1)+(4*9)+(3*6)+(2*1)+(1*3)=103
103 % 10 = 3
So 1005196-13-3 is a valid CAS Registry Number.

1005196-13-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-Fluorophenyl)-1,3-thiazole

1.2 Other means of identification

Product number -
Other names 2-(4-fluorophenyl)thiazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1005196-13-3 SDS

1005196-13-3Relevant articles and documents

Homoleptic thiazole-based IrIII phosphorescent complexes for achieving both high EL efficiencies and an optimized trade-off among the key parameters of solution-processed WOLEDs

Guo, Haoran,Zhao, Jiang,Tian, Zhuanzhuan,Wu, Yong,Liu, Boao,Dang, Feifan,Yang, Xiaolong,Zhou, Guijiang,Wu, Zhaoxin,Wong, Wai-Yeung

, p. 208 - 219 (2017)

Two homoleptic thiazole-based IrIII phosphorescent emitters, Ir-3Tz1F and Ir-3Tz2F, with fluorinated 2-phenylthiazole-type ligands were designed and prepared. Their thermal stability, and photophysical and electrochemical properties, as well as electroluminescent (EL) performances in both monochromic OLEDs and solution-processed WOLEDs were investigated. When doped in monochromic OLEDs made by vacuum deposition, Ir-3Tz1F gave the maximum EL efficiencies with ηL of 56.2 cd A-1, ηext of 15.8% and ηp of 50.2 lm W-1. Critically, solution-processed WOLEDs based on Ir-3Tz1F with three primary colors could achieve an excellent trade-off among the stable balanced white EL spectra, a high EL efficiency and a high color rendering index (CRI). The optimized solution-processed WOLED exhibited very attractive EL efficiencies of 33.4 cd A-1, 16.5% and 30.6 lm W-1, while maintaining both a high CRI of ca. 80 and very stable Commission Internationale de L'Eclairage (CIE) coordinates in a wide driving voltage range from 4 V to 11 V.

Efficient access to 5-substituted thiazoles by a novel metallotropic rearrangement

Zambon, Alfonso,Borsato, Giuseppe,Brussolo, Stefania,Frascella, Pietrogiulio,Lucchini, Vittorio

, p. 66 - 69 (2008)

A novel rearrangement process involving the migration of trimethylstannanyl or trimethylsilanyl groups around the thiazole ring provides access to either 2- or 5-metallated thiazoles by tuning the reaction conditions. The proposed mechanism, based on expe

Tris(cyclometalated) iridium(III) phosphorescent complexes with 2-phenylthiazole-type ligands: Synthesis, photophysical, redox and electrophosphorescent behavior

Yao, Chunliang,Jiao, Bo,Yang, Xiaolong,Xu, Xianbin,Dang, Jingshuang,Zhou, Guijiang,Wu, Zhaoxin,Lv, Xingqiang,Zeng, Yi,Wong, Wai-Yeung

, p. 4754 - 4763 (2013)

Tris(cyclometalated) iridium(III) phosphorescent emitters with 2-phenylthiazole-type ligands have been designed and synthesized. Their photophysical properties, electrochemical behavior and electroluminescent (EL) performance can be influenced by introduc

Derisking the Cu-Mediated 18F-Fluorination of Heterocyclic Positron Emission Tomography Radioligands

Taylor, Nicholas J.,Emer, Enrico,Preshlock, Sean,Schedler, Michael,Tredwell, Matthew,Verhoog, Stefan,Mercier, Joel,Genicot, Christophe,Gouverneur, Véronique

supporting information, p. 8267 - 8276 (2017/06/27)

Molecules labeled with fluorine-18 (18F) are used in positron emission tomography to visualize, characterize and measure biological processes in the body. Despite recent advances in the incorporation of 18F onto arenes, the development of general and efficient approaches to label radioligands necessary for drug discovery programs remains a significant task. This full account describes a derisking approach toward the radiosynthesis of heterocyclic positron emission tomography (PET) radioligands using the copper-mediated 18F-fluorination of aryl boron reagents with 18F-fluoride as a model reaction. This approach is based on a study examining how the presence of heterocycles commonly used in drug development affects the efficiency of 18F-fluorination for a representative aryl boron reagent, and on the labeling of more than 50 (hetero)aryl boronic esters. This set of data allows for the application of this derisking strategy to the successful radiosynthesis of seven structurally complex pharmaceutically relevant heterocycle-containing molecules.

GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES

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Paragraph 000869, (2015/04/15)

Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES

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Page/Page column 91, (2014/08/06)

The present invention relates to novel Heterocycle-Substituted Tetracyclic Compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, wherein A, A', R 2 R 3, R 4 and R are as defined herein. The present i

THIAZOLYL-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES

-

Page/Page column 72, (2014/08/06)

The present invention relates to novel Thiazolyl-Substituted Tetracyclic Compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein A, A', R2R3, R4 and R5 are as defined herein. The present

PYRIDINE DERIVATIVES

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Page/Page column 84, (2013/04/13)

The present application provides novel pyridine compounds and pharmaceutically acceptable salts or prodrugs thereof. Also provided are methods for preparing these compounds. These compounds are useful in inhibiting CYP 17 activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with CPY17 activity. A variety of conditions can be treated using these compounds and include diseases which are characterized by abnormal cellular proliferation. In one embodiment, the disease is cancer, such as prostate cancer.

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